Summary

IMPPAT Phytochemical identifier: IMPHY006288

Phytochemical name: beta-Panasinsene

Synonymous chemical names:
(-)-beta-panasinsene, beta-panasinsene, panasinsene, beta-, panasinsene,beta-, β -panasinsene, β-panasinsene

External chemical identifiers:
CID:595133

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Chemical structure information

SMILES:
C=C1CCCC2(C31CC(C3CC2)(C)C)C

InChI:
InChI=1S/C15H24/c1-11-6-5-8-14(4)9-7-12-13(2,3)10-15(11,12)14/h12H,1,5-10H2,2-4H3

InChIKey:
LTMKWDWWHXRNMO-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCC6CCC4CC7)))C)C))))C

Functional groups:
C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CCC3CCC123

Scaffold Graph/Node level:
CC1CCCC2CCC3CCC123

Scaffold Graph level:
CC1CCCC2CCC3CCC123

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Clovane sesquiterpenoids

NP-Likeness score: 3.165

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Chemical structure download